2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoate

Systemtic Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoate Openeye Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoate CAS Name: 2-[[2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]propanoate IUPAC Name: 2-[[2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]propanoate Traditional Name: 2-[[2-[(2-ammonio-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propionate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C17H25N3O4/c1-10(2)14(16(22)19-11(3)17(23)24)20-15(21)13(18)9-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9,18H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)